Methyl 2-(2-fluoroethoxy)-5-iodobenzoate

Base Information

• Chemical Name: Methyl 2-(2-fluoroethoxy)-5-iodobenzoate
• CAS No.: 193882-74-5
• Molecular Formula: C10H10 F I O3
• Molecular Weight: 324.0874732
• DSSTox Substance ID: DTXSID50590143
• Wikidata: Q82483826
• Mol file: 193882-74-5.mol

Synonyms:193882-74-5;Methyl 2-(2-fluoroethoxy)-5-iodobenzoate;2-(2-FLUORO-ETHOXY)-5-IODO-BENZOIC ACID METHYL ESTER;DTXSID50590143;DB-297782

Chemical Property of Methyl 2-(2-fluoroethoxy)-5-iodobenzoate

Chemical Property:

• Boiling Point: 362.2±42.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.658±0.06 g/cm3(Predicted)
• LogP: 2.42610
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 323.96587
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

2-(2-FLUORO-ETHOXY)-5-IODO-BENZOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)I)OCCF

Technology Process of Methyl 2-(2-fluoroethoxy)-5-iodobenzoate

There total 2 articles about Methyl 2-(2-fluoroethoxy)-5-iodobenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-fluoroethyl bromide (762-49-2) + methyl 5-iodosalicylate (4068-75-1) → methyl 2-(2-fluoroethoxy)-5-iodobenzoate (193882-74-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; Reflux; Inert atmosphere;

DOI:10.1021/jm5001453

Reference yield:

2-hydroxy-5-iodobenzoic acid (119-30-2) → methyl 2-(2-fluoroethoxy)-5-iodobenzoate (193882-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / Reflux

2: potassium carbonate / acetone / Reflux

With sulfuric acid; potassium carbonate; In acetone; 1: Fischer esterification;

DOI:10.1021/jm101323b

Reference yield: 100.0%

methyl 2-(2-fluoroethoxy)-5-iodobenzoate (193882-74-5) → 2-(2-fluoroethoxy)-5-iodobenzoic acid (193882-73-4)

Guidance literature:

methyl 2-(2-fluoroethoxy)-5-iodobenzoate; With sodium hydroxide; In methanol; water; at 20 ℃; Inert atmosphere;

With hydrogenchloride; In water; pH=5 - Ca. 6; Inert atmosphere;

DOI:10.1021/jm5001453

upstream raw materials:

2-fluoroethyl bromide

methyl 5-iodosalicylate

2-hydroxy-5-iodobenzoic acid

Downstream raw materials:

2-(2-fluoroethoxy)-5-iodobenzoic acid

2-(2-fluoroethoxy)-5-iodo-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide

5-azido-N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-2-(2-fluoroethoxy)benzamide

N-(4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-5-(4-((dimethylamino)methyl)-1H-1,2,3-triazol-1-yl)-2-(2-fluoroethoxy)benzamide

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